2-(1,3-benzothiazol-2-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-(3,4-dimethoxyphenyl)-3-pyrazolin-3-one Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=O)N(N2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=O)N(N2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C18H15N3O3S/c1-23-14-8-7-11(9-15(14)24-2)13-10-17(22)21(20-13)18-19-12-5-3-4-6-16(12)25-18/h3-10,20H,1-2H3